SCHEMBL10330633

SCHEMBL10330633

CN1CCC(c2nc(Nc3ccc(C(=O)O)cc3)nc3ccccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.56
SOS2 Q07890 1/20 0.53
MAPT P10636 4/20 0.52
LMNA P02545 3/20 0.52
GAA P10253 2/20 0.52
RAD52 P43351 2/20 0.52
PIN1 Q13526 1/20 0.50
LRRK2 Q5S007 1/20 0.48
ATM Q13315 1/20 0.48
ABCC1 P33527 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
THRB P10828 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 3/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4133826 0.86 MERTK (0.67) MERTKMAPTPIN1LRRK2ATM
SCHEMBL4137970 0.85 SOS2 (0.43) MERTKSOS2MAPTLMNAGAA
SCHEMBL4129833 0.76 MERTK (0.46) MERTKMAPT
SCHEMBL4132697 0.74 MERTK (0.48) MERTKTP53
SCHEMBL14083982 0.74 SOS2 (0.39) SOS2MAPTLMNAGAARAD52
SCHEMBL28915370 0.73 GBA1 (0.43) MEN1KMT2AMAPK1POLBTSHR
SCHEMBL4141902 0.72 LRRK2 (0.85) MERTKMAPTLMNAGAARAD52
SCHEMBL4133067 0.71 MAPT (0.73) MERTKMAPTLMNAGAAPIN1
SCHEMBL10330632 0.71 TDP1 (0.48) KMT2AMAPK1POLBTSHRSMN1; SMN2
SCHEMBL4569980 0.69 RHOA (0.72) MAPTGAAPIN1ATMTHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
EP-2527330-A1 Inhibitors of the hedgehog pathway Exelixis, Inc. (US) 2012-11-28 EP disclosed
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-27 US disclosed
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-27 US disclosed
US-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-20 US disclosed
US-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-20 US disclosed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
WO-2008112913-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2008-09-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY SHH, GLI1, SMO MERTK 2691/4885SOS2 50/4885MAPT 3255/4885
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO MERTK 2650/4885SOS2 41/4885MAPT 3269/4885
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY SHH, GLI1, SMO MERTK 2691/4885SOS2 50/4885MAPT 3255/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.